Geometry & MOs

Info

ID:	71237
PubChem CID:	48414500
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	49.14
Dipole, Da:	2.49
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations